2-tert-butylsulfanylethanamine; [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenyl-phosphane

Systemtic Name: 2-tert-butylsulfanylethanamine; [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenyl-phosphane Openeye Name: 2-tert-butylsulfanylethanamine; [1-(2-diphenylphosphanyl-1-naphthyl)-2-naphthyl]-diphenyl-phosphane CAS Name: 2-(tert-butylthio)ethanamine; [1-(2-diphenylphosphino-1-naphthalenyl)-2-naphthalenyl]-diphenylphosphine IUPAC Name: 2-tert-butylsulfanylethanamine; [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane Traditional Name: 2-(tert-butylthio)ethylamine; [1-(2-diphenylphosphino-1-naphthyl)-2-naphthyl]-diphenyl-phosphine Formula: C50H47NP2S MolecularWeight: 755.927402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCN.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

CC(C)(C)SCCN.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C44H32P2.C6H15NS/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-6(2,3)8-5-4-7/h1-32H;4-5,7H2,1-3H3